HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=18",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=16",
"results": [
{
"id": "mp-30882",
"created_at": "2022-09-04T14:47:40.903712Z",
"structure_string": "Ti4 Zn8\n1.0\n2.541545 -4.402086 0.000000\n2.541545 4.402086 0.000000\n0.000000 0.000000 8.171311\nTi Zn\n4 8\ndirect\n0.333333 0.666667 0.067085 Ti\n0.666667 0.333333 0.567085 Ti\n0.666667 0.333333 0.932915 Ti\n0.333333 0.666667 0.432915 Ti\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.828151 0.656303 0.250000 Zn\n0.171849 0.828151 0.750000 Zn\n0.656303 0.828151 0.750000 Zn\n0.343697 0.171849 0.250000 Zn\n0.828151 0.171849 0.250000 Zn\n0.171849 0.343697 0.750000 Zn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 6.491112306470398,
"density_atomic": 0.06563011782529334,
"volume": 182.84288368861183,
"volume_molar": 9.17587985447607,
"formula_full": "Ti4 Zn8",
"formula_reduced": "TiZn2",
"formula_anonymous": "AB2",
"energy": -44.03559326,
"energy_per_atom": -3.6696327716666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.03559326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6542694,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:19.749000Z",
"spacegroup": 194
},
{
"id": "mp-1187474",
"created_at": "2022-09-04T14:43:18.423479Z",
"structure_string": "Ti3 Zn1\n1.0\n-1.982220 1.982220 4.150722\n1.982220 -1.982220 4.150722\n1.982220 1.982220 -4.150722\nTi Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 5.320210512909021,
"density_atomic": 0.061315834826356504,
"volume": 65.23600324985883,
"volume_molar": 9.821509854761683,
"formula_full": "Ti3 Zn1",
"formula_reduced": "Ti3Zn",
"formula_anonymous": "AB3",
"energy": -25.37153973,
"energy_per_atom": -6.3428849325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.37153973,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.6e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.723000Z",
"spacegroup": 139
},
{
"id": "mp-1014229",
"created_at": "2022-09-04T14:40:09.370550Z",
"structure_string": "Ti2 Zn1\n1.0\n-1.504461 1.504461 5.410680\n1.504461 -1.504461 5.410680\n1.504461 1.504461 -5.410680\nTi Zn\n2 1\ndirect\n0.664278 0.664278 0.000000 Ti\n0.335722 0.335722 0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 5.4624419306317655,
"density_atomic": 0.061241743440841975,
"volume": 48.98619522316386,
"volume_molar": 9.83339209769108,
"formula_full": "Ti2 Zn1",
"formula_reduced": "Ti2Zn",
"formula_anonymous": "AB2",
"energy": -17.51741853,
"energy_per_atom": -5.83913951,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.51741853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.092435,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.872000Z",
"spacegroup": 139
},
{
"id": "mp-866186",
"created_at": "2022-09-04T14:41:50.838875Z",
"structure_string": "Ti3 Zn1\n1.0\n4.018312 0.000000 0.000000\n0.000000 4.018312 0.000000\n0.000000 0.000000 4.018312\nTi Zn\n3 1\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 5.349155213528669,
"density_atomic": 0.061649424724347646,
"volume": 64.88300609267894,
"volume_molar": 9.768364890551256,
"formula_full": "Ti3 Zn1",
"formula_reduced": "Ti3Zn",
"formula_anonymous": "AB3",
"energy": -25.37445149,
"energy_per_atom": -6.3436128725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.37445149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046846,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.547000Z",
"spacegroup": 221
},
{
"id": "mp-1014230",
"created_at": "2022-09-04T14:41:50.720478Z",
"structure_string": "Ti1 Zn1\n1.0\n3.146779 0.000000 0.000000\n0.000000 3.146779 0.000000\n0.000000 0.000000 3.146779\nTi Zn\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 6.036542638069623,
"density_atomic": 0.06418466309325857,
"volume": 31.16009189133009,
"volume_molar": 9.382522973206221,
"formula_full": "Ti1 Zn1",
"formula_reduced": "TiZn",
"formula_anonymous": "AB",
"energy": -9.54109828,
"energy_per_atom": -4.77054914,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.54109828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.913000Z",
"spacegroup": 221
},
{
"id": "mp-21289",
"created_at": "2022-09-04T14:43:10.670069Z",
"structure_string": "Ti1 Zn3\n1.0\n3.926097 0.000000 0.000000\n0.000000 3.926097 0.000000\n0.000000 0.000000 3.926097\nTi Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 6.697660442193527,
"density_atomic": 0.06609626448747108,
"volume": 60.51779220833611,
"volume_molar": 9.111166579075782,
"formula_full": "Ti1 Zn3",
"formula_reduced": "TiZn3",
"formula_anonymous": "AB3",
"energy": -12.47531388,
"energy_per_atom": -3.11882847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.47531388,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002516,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.928000Z",
"spacegroup": 221
},
{
"id": "mp-2327",
"created_at": "2022-09-04T14:46:35.278747Z",
"structure_string": "Ti2 Zn32\n1.0\n3.853634 -5.759427 0.000000\n3.853634 5.759427 0.000000\n0.000000 0.000000 11.673307\nTi Zn\n2 32\ndirect\n0.047104 0.952896 0.250000 Ti\n0.952896 0.047104 0.750000 Ti\n0.353377 0.982912 0.430752 Zn\n0.646623 0.017089 0.930752 Zn\n0.982911 0.353377 0.569248 Zn\n0.017088 0.646623 0.069248 Zn\n0.646623 0.017089 0.569248 Zn\n0.353377 0.982912 0.069248 Zn\n0.017088 0.646623 0.430752 Zn\n0.982911 0.353377 0.930752 Zn\n0.652727 0.758654 0.364968 Zn\n0.347273 0.241346 0.864968 Zn\n0.758654 0.652727 0.635032 Zn\n0.241346 0.347273 0.135032 Zn\n0.347273 0.241346 0.635032 Zn\n0.652727 0.758654 0.135032 Zn\n0.241346 0.347273 0.364968 Zn\n0.758654 0.652727 0.864968 Zn\n0.477212 0.192067 0.250000 Zn\n0.522788 0.807933 0.750000 Zn\n0.192067 0.477212 0.750000 Zn\n0.807933 0.522788 0.250000 Zn\n0.175974 0.824026 0.859131 Zn\n0.824026 0.175974 0.359131 Zn\n0.824026 0.175974 0.140869 Zn\n0.175974 0.824026 0.640869 Zn\n0.620674 0.379326 0.469238 Zn\n0.379326 0.620674 0.969238 Zn\n0.379326 0.620674 0.530762 Zn\n0.620674 0.379326 0.030762 Zn\n0.288759 0.711241 0.250000 Zn\n0.711241 0.288759 0.750000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 34,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 7.014325195498221,
"density_atomic": 0.06561532299393392,
"volume": 518.1716472407409,
"volume_molar": 9.177948816249433,
"formula_full": "Ti2 Zn32",
"formula_reduced": "TiZn16",
"formula_anonymous": "AB16",
"energy": -58.28922282,
"energy_per_atom": -1.7143889064705882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.28922282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010675,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.792000Z",
"spacegroup": 63
},
{
"id": "mp-1208498",
"created_at": "2022-09-04T14:45:11.307066Z",
"structure_string": "Ti12 Zn88\n1.0\n11.527313 0.000000 0.000000\n0.000000 11.527313 0.000000\n0.000000 0.000000 11.460288\nTi Zn\n12 88\ndirect\n0.089287 0.344357 0.000000 Ti\n0.910713 0.655643 0.000000 Ti\n0.344357 0.910713 0.500000 Ti\n0.589287 0.155643 0.000000 Ti\n0.655643 0.089287 0.500000 Ti\n0.410713 0.844357 0.000000 Ti\n0.844357 0.589287 0.500000 Ti\n0.155643 0.410713 0.500000 Ti\n0.000000 0.000000 0.250000 Ti\n0.000000 0.000000 0.750000 Ti\n0.500000 0.500000 0.750000 Ti\n0.500000 0.500000 0.250000 Ti\n0.234841 0.043285 0.317640 Zn\n0.765159 0.956715 0.682360 Zn\n0.765159 0.956715 0.317640 Zn\n0.043285 0.765159 0.817640 Zn\n0.734841 0.456715 0.682360 Zn\n0.234841 0.043285 0.682360 Zn\n0.956715 0.234841 0.182360 Zn\n0.265159 0.543285 0.317640 Zn\n0.956715 0.234841 0.817640 Zn\n0.265159 0.543285 0.682360 Zn\n0.043285 0.765159 0.182360 Zn\n0.734841 0.456715 0.317640 Zn\n0.543285 0.734841 0.182360 Zn\n0.456715 0.265159 0.817640 Zn\n0.456715 0.265159 0.182360 Zn\n0.543285 0.734841 0.817640 Zn\n0.320643 0.241116 0.000000 Zn\n0.679357 0.758884 0.000000 Zn\n0.241116 0.679357 0.500000 Zn\n0.820643 0.258884 0.000000 Zn\n0.758884 0.320643 0.500000 Zn\n0.179357 0.741116 0.000000 Zn\n0.741116 0.820643 0.500000 Zn\n0.258884 0.179357 0.500000 Zn\n0.397425 0.059021 0.117282 Zn\n0.602575 0.940979 0.882718 Zn\n0.602575 0.940979 0.117282 Zn\n0.059021 0.602575 0.617282 Zn\n0.897425 0.440979 0.882718 Zn\n0.397425 0.059021 0.882718 Zn\n0.940979 0.397425 0.382718 Zn\n0.102575 0.559021 0.117282 Zn\n0.940979 0.397425 0.617282 Zn\n0.102575 0.559021 0.882718 Zn\n0.059021 0.602575 0.382718 Zn\n0.897425 0.440979 0.117282 Zn\n0.559021 0.897425 0.382718 Zn\n0.440979 0.102575 0.617282 Zn\n0.440979 0.102575 0.382718 Zn\n0.559021 0.897425 0.617282 Zn\n0.171771 0.173224 0.151541 Zn\n0.828229 0.826776 0.848459 Zn\n0.828229 0.826776 0.151541 Zn\n0.173224 0.828229 0.651541 Zn\n0.671771 0.326776 0.848459 Zn\n0.171771 0.173224 0.848459 Zn\n0.826776 0.171771 0.348459 Zn\n0.328229 0.673224 0.151541 Zn\n0.826776 0.171771 0.651541 Zn\n0.328229 0.673224 0.848459 Zn\n0.173224 0.828229 0.348459 Zn\n0.671771 0.326776 0.151541 Zn\n0.673224 0.671771 0.348459 Zn\n0.326776 0.328229 0.651541 Zn\n0.326776 0.328229 0.348459 Zn\n0.673224 0.671771 0.651541 Zn\n0.619896 0.119896 0.250000 Zn\n0.380104 0.880104 0.750000 Zn\n0.380104 0.880104 0.250000 Zn\n0.119896 0.380104 0.750000 Zn\n0.619896 0.119896 0.750000 Zn\n0.880104 0.619896 0.250000 Zn\n0.880104 0.619896 0.750000 Zn\n0.119896 0.380104 0.250000 Zn\n0.011574 0.104962 0.000000 Zn\n0.988426 0.895038 0.000000 Zn\n0.104962 0.988426 0.500000 Zn\n0.511574 0.395038 0.000000 Zn\n0.895038 0.011574 0.500000 Zn\n0.488426 0.604962 0.000000 Zn\n0.604962 0.511574 0.500000 Zn\n0.395038 0.488426 0.500000 Zn\n0.063750 0.199975 0.383989 Zn\n0.936250 0.800025 0.616011 Zn\n0.936250 0.800025 0.383989 Zn\n0.199975 0.936250 0.883989 Zn\n0.563750 0.300025 0.616011 Zn\n0.063750 0.199975 0.616011 Zn\n0.800025 0.063750 0.116011 Zn\n0.436250 0.699975 0.383989 Zn\n0.800025 0.063750 0.883989 Zn\n0.436250 0.699975 0.616011 Zn\n0.199975 0.936250 0.116011 Zn\n0.563750 0.300025 0.383989 Zn\n0.699975 0.563750 0.116011 Zn\n0.300025 0.436250 0.883989 Zn\n0.300025 0.436250 0.116011 Zn\n0.699975 0.563750 0.883989 Zn\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 6.90284740141328,
"density_atomic": 0.06566716949536279,
"volume": 1522.8309788358044,
"volume_molar": 9.170702508237795,
"formula_full": "Ti12 Zn88",
"formula_reduced": "Ti3Zn22",
"formula_anonymous": "A3B22",
"energy": -217.78366282,
"energy_per_atom": -2.1778366281999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.78366282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.033000Z",
"spacegroup": 135
},
{
"id": "mp-1187531",
"created_at": "2022-09-04T14:41:26.004527Z",
"structure_string": "Ti2 Zn6\n1.0\n2.818876 -4.882436 0.000000\n2.818876 4.882436 0.000000\n0.000000 0.000000 4.350869\nTi Zn\n2 6\ndirect\n0.333333 0.666667 0.750000 Ti\n0.666667 0.333333 0.250000 Ti\n0.164959 0.329918 0.250000 Zn\n0.670082 0.835041 0.250000 Zn\n0.164959 0.835041 0.250000 Zn\n0.835041 0.670082 0.750000 Zn\n0.329918 0.164959 0.750000 Zn\n0.835041 0.164959 0.750000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 6.768893221255242,
"density_atomic": 0.06679922944750101,
"volume": 119.76186052097167,
"volume_molar": 9.015284771709728,
"formula_full": "Ti2 Zn6",
"formula_reduced": "TiZn3",
"formula_anonymous": "AB3",
"energy": -24.90205606,
"energy_per_atom": -3.1127570075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.90205606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.789000Z",
"spacegroup": 194
},
{
"id": "mp-979963",
"created_at": "2022-09-04T14:40:12.064454Z",
"structure_string": "Yb3 Ti1\n1.0\n5.062260 0.000000 0.000000\n0.000000 5.062260 0.000000\n0.000000 0.000000 5.062260\nYb Ti\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ti"
],
"chemical_system": "Ti-Yb",
"density": 7.257530305366131,
"density_atomic": 0.030833771556656106,
"volume": 129.72788595291118,
"volume_molar": 19.530989742641445,
"formula_full": "Yb3 Ti1",
"formula_reduced": "Yb3Ti",
"formula_anonymous": "AB3",
"energy": -10.90740853,
"energy_per_atom": -2.7268521325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.90740853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6250448,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.769000Z",
"spacegroup": 221
},
{
"id": "mp-979952",
"created_at": "2022-09-04T14:40:27.030705Z",
"structure_string": "Yb3 Ti1\n1.0\n-2.522160 2.522160 5.068901\n2.522160 -2.522160 5.068901\n2.522160 2.522160 -5.068901\nYb Ti\n3 1\ndirect\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ti"
],
"chemical_system": "Ti-Yb",
"density": 7.2996683813964705,
"density_atomic": 0.031012796067128468,
"volume": 128.97901857484362,
"volume_molar": 19.418245123609072,
"formula_full": "Yb3 Ti1",
"formula_reduced": "Yb3Ti",
"formula_anonymous": "AB3",
"energy": -10.95623149,
"energy_per_atom": -2.7390578725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.95623149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.806416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.950000Z",
"spacegroup": 139
},
{
"id": "mp-999484",
"created_at": "2022-09-04T14:43:24.011949Z",
"structure_string": "Y1 Ti1\n1.0\n3.658092 0.000000 0.000000\n0.000000 3.658092 0.000000\n0.000000 0.000000 3.658092\nY Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Ti"
],
"chemical_system": "Ti-Y",
"density": 4.639648964268992,
"density_atomic": 0.040856967080048066,
"volume": 48.95125955094871,
"volume_molar": 14.739568769755378,
"formula_full": "Y1 Ti1",
"formula_reduced": "YTi",
"formula_anonymous": "AB",
"energy": -13.63301247,
"energy_per_atom": -6.816506235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.63301247,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3310634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.528000Z",
"spacegroup": 221
}
]
}